activity
20012024
most citedAll-electron magnetic response with pseudopotentials: NMR chemical shifts

1.8k citations · 10.4k across the 110 of their papers we have counts for

collaborators

109 papers

cond-mat.supr-con2024★ 2 cited

Synthesis of MgIrH: A potential pathway to high- hydride superconductivity at ambient pressure

Mads F. Hansen, Lewis J. Conway, Kapildeb Dolui +7

Following long-standing predictions associated with hydrogen, high-temperature superconductivity has recently been observed in several hydride-based materials. Nevertheless, these…

cond-mat.supr-con2023★ 149 cited

Feasible route to high-temperature ambient-pressure hydride superconductivity

Kapildeb Dolui, Lewis J. Conway, Christoph Heil +3

A key challenge in materials discovery is to find high-temperature superconductors. Hydrogen and hydride materials have long been considered promising materials displaying conventi…

cond-mat.supr-con2023★ 15 cited

On the dynamical stability of copper-doped lead apatite

Sun-Woo Kim, Kang Wang, Siyu Chen +5

The recent claim of room temperature superconductivity in a copper-doped lead apatite compound, called LK-99, has sparked remarkable interest and controversy. Subsequent experiment…

cond-mat.mtrl-sci2023★ 1 cited

Ultra-fast yttrium hydride chemistry at high pressures via non-equilibrium states induced by x-ray free electron laser

Emily Siska, G. Alexander Smith, Sergio Villa-Cortes +24

Controlling the formation and stoichiometric content of desired phases of materials has become a central interest for the study of a variety of fields, notably high temperature sup…

cond-mat.mtrl-sci2023★ 43 cited

Developments and Further Applications of Ephemeral Data Derived Potentials

Pascal T. Salzbrenner, Se Hun Joo, Lewis J. Conway +5

Machine-learned interatomic potentials are fast becoming an indispensable tool in computational materials science. One approach is the ephemeral data-derived potential (EDDP), whic…

cond-mat.mtrl-sci2023★ 87 cited

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Emanuele Bosoni, Louis Beal, Marnik Bercx +42

In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter phys…